Sample Originator: N Tomkinsona.
Data Collection: Simon J. Colesb
Structure Determination: Simon J. Colesb and Michael B. Hursthouseb.
Cardiff Universitya
University of Southamptonb
C13H19N2O . PF6
InChI=1/2C13H19N2O.2F5P.2FH/c2*1-13(2)14-11(12(16)15(13)3)9-10-7-5-4-6-8-10;2*1-6(2,3,4)5;;/h2*4-8,11H,9,14H2,1-3H3;;;2*1H/t2*11-;;;;/m00..../s1
| Identification Number: | 10.5258/ecrystals/308 |
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| Date Created: | 16 May 2007 |
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| Deposited On: | 21 Jan 2008 15:30 |
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| Deposited By: | Dr Simon J Coles |
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Data collection parameters
| Chemical formula | C13 H19 F6 N2 O P |
| Crystal morphology | Shard |
| Crystal system | Orthorhombic |
| Space group symbol | P2(1)2(1)2(1) |
| Cell length a | 11.7560(4) |
| Cell length b | 15.6189(3) |
| Cell length c | 18.4464(6) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 293(2) |
Refinement results
| Solution figure of merit | 0.2439 |
| R Factor (Obs) | 0.0549 |
| R Factor (All) | 0.1229 |
| Weighted R Factor (Obs) | 0.1265 |
| Weighted R Factor (All) | 0.1542 |
Citation: Tomkinson, N and Coles, Simon J. and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/308)
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